Identification
| Names | Cirsimaritin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavones |
| Family | Methoxyflavones |
| Synonyms | 5,4'-Dihydroxy-6,7-dimethoxyflavone ; 6,7-Dimethylscutellarein ; Skrofullein |
| Chemical Formula | C17H14O6 |
| Aglycones | Cirsimaritin |
| PubChem ID | 188323 |
| CAS ID | 6601-62-3 |
| ChEBI ID | - |
| SMILES | COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1 |
Cirsimaritin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 314.29 | 2 | 6 | 89.14 | 2.79 | 23 | 3 | 267.12 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.619 | 85.722 | Good | Binder | Low | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | Plausible | No Hit |
| TOPKAT | Carcinogen | Toxic | Non - Mutagen | Strong | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.